6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid

C51H49N13O15S — CID 158526647

IUPAC6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1[nH]ncc1C(=O)O.Cc1nc(C(=O)O)sc1-c1cccnc1.Cn1cc(C(=O)O)cn1.O=C(O)c1ccc(CO)nc1.O=C(O)c1ccc2nccn2c1.O=C(O)c1cn2c(n1)CCCC2.O=C(O)c1cn2ccccc2n1
InChIInChI=1S/C10H8N2O2S.C8H6N2O2.C8H10N2O2.C8H6N2O2.C7H7NO3.2C5H6N2O2/c1-6-8(7-3-2-4-11-5-7)15-9(12-6)10(13)14;11-8(12)6-1-2-7-9-3-4-10(7)5-6;2*11-8(12)6-5-10-4-2-1-3-7(10)9-6;9-4-6-2-1-5(3-8-6)7(10)11;1-7-3-4(2-6-7)5(8)9;1-3-4(5(8)9)2-6-7-3/h2-5H,1H3,(H,13,14);1-5H,(H,11,12);5H,1-4H2,(H,11,12);1-5H,(H,11,12);1-3,9H,4H2,(H,10,11);2-3H,1H3,(H,8,9);2H,1H3,(H,6,7)(H,8,9)
InChIKeyHMWCKYNGAOWDFH-UHFFFAOYSA-N
MW1116.10 g/mol
LogP6.00
Rot. Bonds9

About 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid

6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 158526647) has the molecular formula C51H49N13O15S and a molecular weight of 1116.10 g/mol. Its IUPAC name is 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID158526647
Molecular FormulaC51H49N13O15S
Molecular Weight1116.10 g/mol
Exact Mass1115.32
IUPAC Name6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1[nH]ncc1C(=O)O.Cc1nc(C(=O)O)sc1-c1cccnc1.Cn1cc(C(=O)O)cn1.O=C(O)c1ccc(CO)nc1.O=C(O)c1ccc2nccn2c1.O=C(O)c1cn2c(n1)CCCC2.O=C(O)c1cn2ccccc2n1
InChIInChI=1S/C10H8N2O2S.C8H6N2O2.C8H10N2O2.C8H6N2O2.C7H7NO3.2C5H6N2O2/c1-6-8(7-3-2-4-11-5-7)15-9(12-6)10(13)14;11-8(12)6-1-2-7-9-3-4-10(7)5-6;2*11-8(12)6-5-10-4-2-1-3-7(10)9-6;9-4-6-2-1-5(3-8-6)7(10)11;1-7-3-4(2-6-7)5(8)9;1-3-4(5(8)9)2-6-7-3/h2-5H,1H3,(H,13,14);1-5H,(H,11,12);5H,1-4H2,(H,11,12);1-5H,(H,11,12);1-3,9H,4H2,(H,10,11);2-3H,1H3,(H,8,9);2H,1H3,(H,6,7)(H,8,9)
InChIKeyHMWCKYNGAOWDFH-UHFFFAOYSA-N
XLogP6.00
TPSA418.92 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001116.10
LogP ≤ 56.00
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid with MolForge

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Related Compounds

butyl 1-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 2-methylpyrazolo[3,4-c]pyridine-5-carboxylate;butyl 1H-pyrazolo[3,4-c]pyridine-5-carboxylate;2-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid;1-(2-methylpyrazolo[3,4-c]pyridin-5-yl)-3-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]butan-1-one
CID 158525920
1-[2,5-dimethyl-4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;2-[3,5-dimethyl-4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-[2-(hydroxymethyl)-4-pyridinyl]pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(2-isocyano-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;1-[5-methyl-4-(2-methyl-4-pyridinyl)imidazol-1-yl]-3-(5-pyrazin-2-yl-2-pyridinyl)propan-2-one;2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;2-[4-(4-methyl-1,3-thiazol-5-yl)pyrazol-1-yl]-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide;N-(5-pyrazin-2-yl-2-pyridinyl)-2-(4-pyridin-3-ylpyrazol-1-yl)acetamide
CID 157767021
2-benzyl-4-methyl-1,3-thiazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,3-dimethylpyrazole;1,4-dimethyl-2H-pyrimidine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-benzothiazole;2-methylimidazo[1,2-a]pyridine;6-methylimidazo[2,1-b][1,3]thiazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;methyl 6-methylpyridine-3-carboxylate;2-methylpyrazine;5-methyl-1H-pyrazole;2-methylpyridin-3-amine;2-methylpyridine;6-methylpyridine-3-carbaldehyde;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1H-1,2,4-triazole;1,3,5-trimethylpyrazole
CID 158030827
2-Bromo-[1,2,4]triazolo[1,5-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetate;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;methyl 2-amino-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride
CID 158231235
1-[4-(4-Tert-butyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
CID 159094933
4-(3-Cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazole-5-carboxylic acid;4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(3,6-dimethylpyrazin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-[5-(2-hydroxyacetyl)-1-methylpyrazol-4-yl]pyridine-3-carbonitrile;methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 159344910
N,N-diethyl-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-(pyrrolidin-1-ylmethyl)thiophene-2-carboxamide;ethyl 1-[[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methyl]piperidine-4-carboxylate;2-[ethyl-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]amino]-2-methylpropan-1-ol;[5-[[6-methyl-3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methanol;[5-[(6-methyl-3-thiophen-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-1,2-thiazol-3-yl]methanol
CID 160577657
Tert-butyl 2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]acetate;2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;2-hydroxy-1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylic acid;hydrochloride
CID 160604947
2-Bromoimidazo[1,2-a]pyridin-7-amine;2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid;2-(2-bromo-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]ethanone;tert-butyl 2-(2-bromoimidazo[1,2-a]pyridin-7-yl)acetate;4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate;hydrochloride
CID 160966592
Bis(ethyl 2-[4-[[7-[(4-hydroxycyclohexyl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]acetate);ethyl 2-[2-[(1-methylpyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]acetate;ethyl 4-[[2-[(1-methylpyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-1,3-thiazole-2-carboxylate;ethyl 5-[[2-[(1-methylpyrazol-4-yl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]thiophene-2-carboxylate;ethyl 2-[4-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyrazol-1-yl]acetate
CID 161655554
Sodium;2-hydroxy-1-[1-methyl-4-(1-methylimidazol-4-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrazol-5-yl]ethanone;methyl 2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylate
CID 161788025

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid (CID 158526647) is 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid is Cc1[nH]ncc1C(=O)O.Cc1nc(C(=O)O)sc1-c1cccnc1.Cn1cc(C(=O)O)cn1.O=C(O)c1ccc(CO)nc1.O=C(O)c1ccc2nccn2c1.O=C(O)c1cn2c(n1)CCCC2.O=C(O)c1cn2ccccc2n1.
What is the InChIKey of 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is HMWCKYNGAOWDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S.C8H6N2O2.C8H10N2O2.C8H6N2O2.C7H7NO3.2C5H6N2O2/c1-6-8(7-3-2-4-11-5-7)15-9(12-6)10(13)14;11-8(12)6-1-2-7-9-3-4-10(7)5-6;2*11-8(12)6-5-10-4-2-1-3-7(10)9-6;9-4-6-2-1-5(3-8-6)7(10)11;1-7-3-4(2-6-7)5(8)9;1-3-4(5(8)9)2-6-7-3/h2-5H,1H3,(H,13,14);1-5H,(H,11,12);5H,1-4H2,(H,11,12);1-5H,(H,11,12);1-3,9H,4H2,(H,10,11);2-3H,1H3,(H,8,9);2H,1H3,(H,6,7)(H,8,9).
What are the key properties of 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid?
6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 1116.10 g/mol, XLogP of 6.00, 9 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)pyridine-3-carboxylic acid;imidazo[1,2-a]pyridine-2-carboxylic acid;imidazo[1,2-a]pyridine-6-carboxylic acid;1-methylpyrazole-4-carboxylic acid;5-methyl-1H-pyrazole-4-carboxylic acid;4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carboxylic acid;5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 158526647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).